4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-piperidin-3-ylbutanamide

C19H26N4O4 — CID 119427582

IUPAC4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-piperidin-3-ylbutanamide
SMILESCOc1cc2ncn(CCCC(=O)NC3CCCNC3)c(=O)c2cc1OC
InChIInChI=1S/C19H26N4O4/c1-26-16-9-14-15(10-17(16)27-2)21-12-23(19(14)25)8-4-6-18(24)22-13-5-3-7-20-11-13/h9-10,12-13,20H,3-8,11H2,1-2H3,(H,22,24)
InChIKeyXXESQWVSFAGYJS-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.06
Rot. Bonds7

About 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-piperidin-3-ylbutanamide

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-piperidin-3-ylbutanamide (PubChem CID 119427582) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-piperidin-3-ylbutanamide.

Molecular Properties

Compound Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-piperidin-3-ylbutanamide
PubChem CID119427582
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-piperidin-3-ylbutanamide
SMILESCOc1cc2ncn(CCCC(=O)NC3CCCNC3)c(=O)c2cc1OC
InChIInChI=1S/C19H26N4O4/c1-26-16-9-14-15(10-17(16)27-2)21-12-23(19(14)25)8-4-6-18(24)22-13-5-3-7-20-11-13/h9-10,12-13,20H,3-8,11H2,1-2H3,(H,22,24)
InChIKeyXXESQWVSFAGYJS-UHFFFAOYSA-N
XLogP1.06
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-piperidin-3-ylbutanamide?
The IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-piperidin-3-ylbutanamide (CID 119427582) is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-piperidin-3-ylbutanamide.
What is the SMILES notation for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-piperidin-3-ylbutanamide?
The canonical SMILES for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-piperidin-3-ylbutanamide is COc1cc2ncn(CCCC(=O)NC3CCCNC3)c(=O)c2cc1OC.
What is the InChIKey of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-piperidin-3-ylbutanamide?
The InChIKey is XXESQWVSFAGYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-26-16-9-14-15(10-17(16)27-2)21-12-23(19(14)25)8-4-6-18(24)22-13-5-3-7-20-11-13/h9-10,12-13,20H,3-8,11H2,1-2H3,(H,22,24).
What are the key properties of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-piperidin-3-ylbutanamide?
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-piperidin-3-ylbutanamide has a molecular weight of 374.44 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-piperidin-3-ylbutanamide is sourced from PubChem (CID 119427582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).